N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide

C11H15NO2S2 — CID 71981871

IUPACN-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1(O)CCSC1
InChIInChI=1S/C11H15NO2S2/c13-10(6-9-2-1-4-16-9)12-7-11(14)3-5-15-8-11/h1-2,4,14H,3,5-8H2,(H,12,13)
InChIKeyCTFNTIBFPAUEBF-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.27
Rot. Bonds4

About N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide

N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 71981871) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID71981871
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC NameN-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1(O)CCSC1
InChIInChI=1S/C11H15NO2S2/c13-10(6-9-2-1-4-16-9)12-7-11(14)3-5-15-8-11/h1-2,4,14H,3,5-8H2,(H,12,13)
InChIKeyCTFNTIBFPAUEBF-UHFFFAOYSA-N
XLogP1.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide (CID 71981871) is N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC1(O)CCSC1.
What is the InChIKey of N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is CTFNTIBFPAUEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c13-10(6-9-2-1-4-16-9)12-7-11(14)3-5-15-8-11/h1-2,4,14H,3,5-8H2,(H,12,13).
What are the key properties of N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 257.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71981871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).